SCHEMBL13613710

SCHEMBL13613710

O=C(Nc1ccc(O)cc1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.64
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4336612 0.90 TRPV1 (0.64) TRPV1
SCHEMBL4341397 0.89 TRPV1 (0.69) TRPV1
SCHEMBL13613697 0.89 TRPV1 (0.62) TRPV1
SCHEMBL13613600 0.89 TRPV1 (0.66) TRPV1
SCHEMBL13613602 0.89 TRPV1 (0.62) TRPV1MAOAMAOB
SCHEMBL13613591 0.86 TRPV1 (0.59) TRPV1
SCHEMBL13613706 0.86 TRPV1 (0.59) TRPV1
SCHEMBL4332079 0.86 TRPV1 (0.71) TRPV1
SCHEMBL4333924 0.86 TRPV1 (0.62) TRPV1
SCHEMBL2245782 0.86 TRPV1 (0.62) TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
EP-1506167-B1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-29 EP disclosed